1-adamantyl-[2-[[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]amino]-2-keto-ethyl]ammonium Formula: C21H29ClN3O2+ MolecularWeight: 390.92686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28ClN3O2/c1-13-17(22)3-2-4-18(13)25-20(27)11-23-19(26)12-24-21-8-14-5-15(9-21)7-16(6-14)10-21/h2-4,14-16,24H,5-12H2,1H3,(H,23,26)(H,25,27)/p+1